@MOLECULE 4-isopropylcatechol 23 23 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.8682 -1.9674 -0.0023 O.3 1 UNL1111111111 -0.4504 2 O 3.2219 0.3960 0.0128 O.3 1 UNL1111111111 -0.4922 3 C -2.4301 0.3317 0.0002 C.3 1 UNL1111111111 -0.0740 4 C -0.9228 0.3456 -0.0020 C.ar 1 UNL1111111111 0.0152 5 C -2.9591 -0.3514 1.2676 C.3 1 UNL1111111111 -0.4452 6 C -2.9643 -0.3590 -1.2605 C.3 1 UNL1111111111 -0.4452 7 C -0.1885 -0.8452 -0.0018 C.ar 1 UNL1111111111 -0.2224 8 C -0.2628 1.5758 -0.0047 C.ar 1 UNL1111111111 -0.1899 9 C 1.2010 -0.7862 -0.0008 C.ar 1 UNL1111111111 0.2140 10 C 1.1318 1.6410 -0.0043 C.ar 1 UNL1111111111 -0.2169 11 C 1.8579 0.4591 -0.0014 C.ar 1 UNL1111111111 0.1208 12 H -2.8082 1.3876 -0.0015 H 1 UNL1111111111 0.1367 13 H -2.5561 0.1258 2.1681 H 1 UNL1111111111 0.1479 14 H -2.6818 -1.4100 1.3062 H 1 UNL1111111111 0.1500 15 H -4.0523 -0.2929 1.3194 H 1 UNL1111111111 0.1426 16 H -2.5646 0.1104 -2.1669 H 1 UNL1111111111 0.1477 17 H -4.0573 -0.2995 -1.3084 H 1 UNL1111111111 0.1426 18 H -2.6875 -1.4178 -1.2916 H 1 UNL1111111111 0.1500 19 H -0.6868 -1.8125 -0.0009 H 1 UNL1111111111 0.1785 20 H -0.8359 2.5010 -0.0071 H 1 UNL1111111111 0.1553 21 H 1.6347 2.6033 -0.0045 H 1 UNL1111111111 0.1582 22 H 2.8504 -1.8143 -0.0118 H 1 UNL1111111111 0.3408 23 H 3.6268 1.2908 -0.0736 H 1 UNL1111111111 0.3359 @BOND 1 1 9 1 2 1 22 1 3 2 11 1 4 2 23 1 5 3 4 1 6 3 5 1 7 3 6 1 8 3 12 1 9 4 7 ar 10 4 8 ar 11 5 13 1 12 5 14 1 13 5 15 1 14 6 16 1 15 6 17 1 16 6 18 1 17 7 9 ar 18 7 19 1 19 8 10 ar 20 8 20 1 21 9 11 ar 22 10 11 ar 23 10 21 1